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· · COA & SDS disponible pour chaque produit · Expédition le jour même sur les articles en stock Methyl Vanillate - ≥99% , CAS No.3943-74-6
Synonyms
3-methoxy-4-(hydroxy)benzoic acid methyl ester | 4-hydroxy-5-methoxy-benzoic acid methyl ester | AKOS000120673 | Methyl 4-hydroxy-3-methoxybenzoate | methyl 4-hydroxy-3-methoxy-benzoate | BENZOIC ACID, 4-HYDROXY-3-METHOXY-, METHYL ESTER | Q27097897 | 4-Hy
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Why this grade ≥99% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
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Storage & shipping Room temperature Ships Normal Check lot-specific COA for exact specifications.
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Quality documents SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.
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Literature proof Cited in 6 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
Vue d’ensemble Methyl vanillate is a volatile compound present in cloudberries (Rubus Chamaemorus.).
Specifications Synonymes
3-methoxy-4-(hydroxy)benzoic acid methyl ester | 4-hydroxy-5-methoxy-benzoic acid methyl ester | AKOS000120673 | Methyl 4-hydroxy-3-methoxybenzoate | methyl 4-hydroxy-3-methoxy-benzoate | BENZOIC ACID, 4-HYDROXY-3-METHOXY-, METHYL ESTER | Q27097897 | 4-Hy
Spécifications et pureté
≥99%
Conditions de stockage de stockage
Room temperature
Noms et identifiants Pubchem Sid Url
https://pubchem.ncbi.nlm.nih.gov/substance/488182566
Sourires canoniques
COC1=C(C=CC(=C1)C(=O)OC)O
IUPAC Name
methyl 4-hydroxy-3-methoxybenzoate
InChIKey
BVWTXUYLKBHMOX-UHFFFAOYSA-N
INCHI
1S/C9H10O4/c1-12-8-5-6(9(11)13-2)3-4-7(8)10/h3-5,10H,1-2H3
Isomères SMILES
COC1=C(C=CC(=C1)C(=O)OC)O
Reaxys-RN_link_address
https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1369113&ln=
Documentation 📋 Safety Data Sheet (SDS) Comprehensive hazard, handling, storage, and regulatory compliance document.
Download SDS → ✅ Certificate of Analysis (COA) Lot-specific quality data. Enter your lot number to retrieve the exact COA.
Look up COA → 📊 Datasheet Quick-reference summary of product specifications and applications.
View datasheet → 🔬 Specification Sheet Full quality attributes and acceptance criteria for this grade.
View spec sheet →
Advanced Data Taxonomic Classification Kingdom Organic compounds Superclass Benzenoids Classe Benzene and substituted derivatives Subclass Benzoic acids and derivatives Intermediate Tree Nodes Methoxybenzoic acids and derivatives Direct Parent M-methoxybenzoic acids and derivatives Alternative Parents p-Hydroxybenzoic acid alkyl esters Methoxyphenols Phenoxy compounds Methoxybenzenes Benzoyl derivatives Anisoles Alkyl aryl ethers 1-hydroxy-2-unsubstituted benzenoids Methyl esters Monocarboxylic acids and derivatives Organic oxides Hydrocarbon derivatives Molecular Framework Aromatic homomonocyclic compounds Substituents P-hydroxybenzoic acid alkyl ester - P-hydroxybenzoic acid ester - M-methoxybenzoic acid or derivatives - Methoxyphenol - Benzoate ester - Phenoxy compound - Anisole - Methoxybenzene - Benzoyl - Phenol ether - 1-hydroxy-2-unsubstituted benzenoid - Alkyl aryl ether - Phenol - Methyl ester - Carboxylic acid ester - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Ether - Organic oxygen compound - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Aromatic homomonocyclic compound Description This compound belongs to the class of organic compounds known as m-methoxybenzoic acids and derivatives. These are benzoic acids in which the hydrogen atom at position 3 of the benzene ring is replaced by a methoxy group. External Descriptors aromatic ether - phenols - benzoate ester Data sources 1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.
Structure 3D Cibles associées (humaines) Cibles associées (non humaines) Mécanismes d'action Certificats (CoA, COO, BSE/TSE et tableau d'analyse) Propriétés chimiques et physiques Solubilité Soluble in chloroform and methanol. Point d'ébullition (°C) 285-287°C Point de fusion (°C) 64-67°C Poids moléculaire 182.170 g/mol XLogP3 1.800 Hydrogen Bond Donor Count 1 Hydrogen Bond Acceptor Count 4 Rotatable Bond Count 3 Exact Mass 182.058 Da Monoisotopic Mass 182.058 Da Topological Polar Surface Area 55.800 Ų Heavy Atom Count 13 Formal Charge 0 Complexity 180.000 Isotope Atom Count 0 Defined Atom Stereocenter Count 0 Undefined Atom Stereocenter Count 0 Defined Bond Stereocenter Count 0 Undefined Bond Stereocenter Count 0 The total count of all stereochemical bonds 0 Covalently-Bonded Unit Count 1
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